Benzenamine,2-bromo-5-chloro-4-fluoro- (85462-59-5)

The 2-Bromo-5-chloro-4-fluoroaniline, with the CAS registry number 85462-59-5, is also known as Benzenamine, 2-bromo-5-chloro-4-fluoro-. This chemical's molecular formula is C₆H₄BrClFN and formula weight is 224.46. What's more, its systematic name is called 2-Bromo-5-chloro-4-fluoroaniline.

Physical properties about this chemical are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 197.51; (6)ACD/BCF (pH 7.4): 197.53; (7)ACD/KOC (pH 5.5): 1530.32; (8)ACD/KOC (pH 7.4): 1530.48; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 43.06 cm³; (14)Molar Volume: 124 cm³; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.809 g/cm³; (17)Flash Point: 118.6 °C; (18)Enthalpy of Vaporization: 51.08 kJ/mol; (19)Boiling Point: 272.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00605 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(F)cc(Br)c(N)c1
(2)InChI: InChI=1/C6H4BrClFN/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,10H2
(3)InChIKey: QNKQNJJCNWUOHC-UHFFFAOYAR